2-Chloro-5-fluorophenylacetonitrile

Name: 2-Chloro-5-fluorophenylacetonitrile
Brand: ChemScene
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CAS No. 395675-23-7
Cat. No. CS-W021657
Purity≥96%
MDL No.MFCD06246270

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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2-Chloro-5-fluorophenylacetonitrile|CS-W021657

Structure of 395675-23-7

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Description

2-Chloro-5-fluorophenylacetonitrile features a trifluorinated aromatic core with orthogonal electron-withdrawing substituents, enabling direct functionalization in cross-coupling and nucleophilic substitution reactions. This bench-stable intermediate integrates efficiently into bioactive molecule scaffolds requiring halogen-directed derivatization.

Application

2-Chloro-5-fluorophenylacetonitrile serves as a versatile building block in medicinal chemistry, enabling efficient access to functionalized aryl nitriles via standard coupling reactions. Its ortho-chloro and meta-fluoro substituents provide enhanced reactivity in palladium-catalyzed cross-couplings while maintaining bench stability and compatibility with diverse functional groups. The acetonitrile handle facilitates downstream transformations including hydrolysis, reduction, and nucleophilic addition, making it a reliable scaffold for API and heterocyclic synthesis.

General Information

CAS No. 395675-23-7
Cat. No. CS-W021657
Purity ≥96%
MDL No. MFCD06246270
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅ClFN
Molecular Weight 169.58
Synonym(s) benzeneacetonitrile, 2-chloro-5-fluoro-
SMILES FC1=CC(CC#N)=C(Cl)C=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.54518
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Chloro-5-fluorophenylacetonitrile

CAS No. 395675-23-7

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